SCHEMBL7426449

SCHEMBL7426449

NC(=O)c1ccc(O)c(O)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
IKBKB O14920 2/20 0.43
HNF4A P41235 3/20 0.42
ACMSD Q8TDX5 3/20 0.42
DHFR P00374 1/20 0.42
MCL1 Q07820 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BRD4 O60885 1/20 0.40
MAP2 P11137 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7026199 0.85 SELL (0.57) KDM4EALDH1A1HPGDSELLSELP
SCHEMBL31509453 0.85 SELL (0.57) KDM4EALDH1A1HPGDSELLSELP
SCHEMBL4151580 0.84 BCAT2 (0.59) BCAT2KDM4EALDH1A1MAPTHPGD
SCHEMBL6389902 0.80 BCAT2 (0.47) BCAT2KDM4EALDH1A1MAPTHPGD
SCHEMBL1286775 0.80 MEN1 (0.51) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL926679 0.80 KDM4E (0.52) BCAT2KDM4EALDH1A1MAPTHPGD
SCHEMBL3870477 0.79 KDM4E (0.61) BCAT2KDM4EALDH1A1MAPTHPGD
SCHEMBL27214460 0.78 BCAT2 (0.63) BCAT2KDM4EALDH1A1MAPTHPGD
SCHEMBL4286154 0.77 ALOX5 (0.38) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL28562251 0.76 BCAT2 (0.47) BCAT2KDM4EALDH1A1MAPTHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP disclosed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 WO disclosed